2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol

C10H14FNO4S — CID 117412232

IUPAC2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol
SMILESCNCC(O)c1ccc(S(C)(=O)=O)c(F)c1O
InChIInChI=1S/C10H14FNO4S/c1-12-5-7(13)6-3-4-8(17(2,15)16)9(11)10(6)14/h3-4,7,12-14H,5H2,1-2H3
InChIKeyPXCQGYDDMABEGC-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.19
Rot. Bonds4

About 2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol

2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol (PubChem CID 117412232) has the molecular formula C10H14FNO4S and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol.

Molecular Properties

Compound Name2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol
PubChem CID117412232
Molecular FormulaC10H14FNO4S
Molecular Weight263.29 g/mol
Exact Mass263.06
IUPAC Name2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol
SMILESCNCC(O)c1ccc(S(C)(=O)=O)c(F)c1O
InChIInChI=1S/C10H14FNO4S/c1-12-5-7(13)6-3-4-8(17(2,15)16)9(11)10(6)14/h3-4,7,12-14H,5H2,1-2H3
InChIKeyPXCQGYDDMABEGC-UHFFFAOYSA-N
XLogP0.19
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol
CID 117373177
1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol
CID 117444120
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol
CID 67042709
2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117419189
2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol
CID 117360557
1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol
CID 84805808
6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol
CID 117337806
2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 82608027
3-(2,3-difluoro-4-methylsulfonylphenyl)butanal
CID 117409970
2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol
CID 117373166
6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol
CID 117407300
1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
CID 84774389

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol?
The IUPAC name of 2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol (CID 117412232) is 2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol.
What is the SMILES notation for 2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol?
The canonical SMILES for 2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol is CNCC(O)c1ccc(S(C)(=O)=O)c(F)c1O.
What is the InChIKey of 2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol?
The InChIKey is PXCQGYDDMABEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO4S/c1-12-5-7(13)6-3-4-8(17(2,15)16)9(11)10(6)14/h3-4,7,12-14H,5H2,1-2H3.
What are the key properties of 2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol?
2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol has a molecular weight of 263.29 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol is sourced from PubChem (CID 117412232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).